1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol

C14H18FNO — CID 114172519

IUPAC1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
SMILESCC1=CCCN(c2ccc(C(C)O)cc2F)C1
InChIInChI=1S/C14H18FNO/c1-10-4-3-7-16(9-10)14-6-5-12(11(2)17)8-13(14)15/h4-6,8,11,17H,3,7,9H2,1-2H3
InChIKeyJDEVWIVVZXKFDE-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.04
Rot. Bonds2

About 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol

1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol (PubChem CID 114172519) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
PubChem CID114172519
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
SMILESCC1=CCCN(c2ccc(C(C)O)cc2F)C1
InChIInChI=1S/C14H18FNO/c1-10-4-3-7-16(9-10)14-6-5-12(11(2)17)8-13(14)15/h4-6,8,11,17H,3,7,9H2,1-2H3
InChIKeyJDEVWIVVZXKFDE-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027
(1R)-1-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941064
1-[4-(3,4-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 79188918
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
1-[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 114490352
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]ethanol
CID 78941148
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
(1R)-1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]ethanol
CID 78946729
(1R)-1-[4-(4-ethyl-4-methylpiperidin-1-yl)-3-fluorophenyl]ethanol
CID 78941130
ethyl 4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazine-1-carboxylate
CID 107877221

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol (CID 114172519) is 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol is CC1=CCCN(c2ccc(C(C)O)cc2F)C1.
What is the InChIKey of 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
The InChIKey is JDEVWIVVZXKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-4-3-7-16(9-10)14-6-5-12(11(2)17)8-13(14)15/h4-6,8,11,17H,3,7,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol?
1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol has a molecular weight of 235.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol is sourced from PubChem (CID 114172519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).